N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide

C20H29N5O2 — CID 178057739

IUPACN-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide
SMILESCCCCOc1nc(N)c(NC)c(N(C=O)Cc2ccc(CCC)cc2)n1
InChIInChI=1S/C20H29N5O2/c1-4-6-12-27-20-23-18(21)17(22-3)19(24-20)25(14-26)13-16-10-8-15(7-5-2)9-11-16/h8-11,14,22H,4-7,12-13H2,1-3H3,(H2,21,23,24)
InChIKeyOUOHMFIBNXTCEB-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.39
Rot. Bonds11

About N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide

N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide (PubChem CID 178057739) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide
PubChem CID178057739
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide
SMILESCCCCOc1nc(N)c(NC)c(N(C=O)Cc2ccc(CCC)cc2)n1
InChIInChI=1S/C20H29N5O2/c1-4-6-12-27-20-23-18(21)17(22-3)19(24-20)25(14-26)13-16-10-8-15(7-5-2)9-11-16/h8-11,14,22H,4-7,12-13H2,1-3H3,(H2,21,23,24)
InChIKeyOUOHMFIBNXTCEB-UHFFFAOYSA-N
XLogP3.39
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[3-[4-[(dimethylamino)methyl]phenoxy]propyl]formamide
CID 145477248
N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[[4-[[4-[7-(6-aminooxyhexanoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]methyl]phenyl]methyl]formamide
CID 178057704
2-[3-[4-[5-[[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-formylamino]pentyl]piperazin-1-yl]phenyl]acetic acid
CID 143428635
N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[[4-[6-methyl-3-(pyrrolidin-1-ylmethyl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-2-oxoacetamide
CID 91502142
methyl 2-[3-[2-[4-[[[6-amino-2-(2-methoxyethoxy)-5-(methylamino)pyrimidin-4-yl]-formylamino]methyl]piperidin-1-yl]ethoxy]phenyl]acetate
CID 143428599
[4-[bis[(4-methoxyphenyl)methyl]amino]-2-butoxy-6-(hydroxymethyl)pyrimidin-5-yl]carbamic acid
CID 174231975
6-amino-9-[[4-[[bis[2-(diethylamino)ethyl]amino]methyl]phenyl]methyl]-2-butoxy-7H-purin-8-one
CID 25072723
4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 146187717
7-bromo-2-butoxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155777682
6-amino-2-butoxy-9-[[5-(methylaminomethyl)-2-pyridinyl]methyl]-7H-purin-8-one
CID 164834408
8-amino-6-butoxy-3-[[4-(diethylaminomethyl)phenyl]methyl]-1,4-dihydropyrimido[5,4-d]pyrimidin-2-one
CID 167226774
6-amino-2-butoxy-9-[[6-[4-[(2,2-difluoroethylamino)methyl]phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 154702403

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide?
The IUPAC name of N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide (CID 178057739) is N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide.
What is the SMILES notation for N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide?
The canonical SMILES for N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide is CCCCOc1nc(N)c(NC)c(N(C=O)Cc2ccc(CCC)cc2)n1.
What is the InChIKey of N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide?
The InChIKey is OUOHMFIBNXTCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-4-6-12-27-20-23-18(21)17(22-3)19(24-20)25(14-26)13-16-10-8-15(7-5-2)9-11-16/h8-11,14,22H,4-7,12-13H2,1-3H3,(H2,21,23,24).
What are the key properties of N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide?
N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide has a molecular weight of 371.49 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-2-butoxy-5-(methylamino)pyrimidin-4-yl]-N-[(4-propylphenyl)methyl]formamide is sourced from PubChem (CID 178057739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).