N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine

C14H26N4 — CID 113388114

IUPACN-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
SMILESCC(C)CCN(C)c1ncc(CNC(C)C)cn1
InChIInChI=1S/C14H26N4/c1-11(2)6-7-18(5)14-16-9-13(10-17-14)8-15-12(3)4/h9-12,15H,6-8H2,1-5H3
InChIKeyBIWPGVFLMWRXNQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.46
Rot. Bonds7

About N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine

N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine (PubChem CID 113388114) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
PubChem CID113388114
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
SMILESCC(C)CCN(C)c1ncc(CNC(C)C)cn1
InChIInChI=1S/C14H26N4/c1-11(2)6-7-18(5)14-16-9-13(10-17-14)8-15-12(3)4/h9-12,15H,6-8H2,1-5H3
InChIKeyBIWPGVFLMWRXNQ-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol
CID 113499719
N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine
CID 113388230
N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine
CID 115347141
4-[[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]methyl]oxan-4-ol
CID 114950656
N-[(2-propan-2-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 62757867
N-methyl-N-(2-phenylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 65488451
2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481530
(E)-3-[2-[methyl(3-methylbutyl)amino]pyrimidin-5-yl]prop-2-enoic acid
CID 113388412
N-methyl-5-(methylaminomethyl)-N-(3-methylbutyl)pyrazin-2-amine
CID 107379708
N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
CID 62756774
3-[methyl-[5-(2-methylpropyl)pyrimidin-2-yl]amino]propanoic acid
CID 116977768
N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185277

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine (CID 113388114) is N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine is CC(C)CCN(C)c1ncc(CNC(C)C)cn1.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The InChIKey is BIWPGVFLMWRXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)6-7-18(5)14-16-9-13(10-17-14)8-15-12(3)4/h9-12,15H,6-8H2,1-5H3.
What are the key properties of N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 113388114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).