N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine

C16H30N4 — CID 62286657

IUPACN-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
SMILESCCCCN(CC)c1cnc(C(C)C)nc1CNCC
InChIInChI=1S/C16H30N4/c1-6-9-10-20(8-3)15-12-18-16(13(4)5)19-14(15)11-17-7-2/h12-13,17H,6-11H2,1-5H3
InChIKeyDMEZWBYEFQIHAP-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.34
Rot. Bonds9

About N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine

N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine (PubChem CID 62286657) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
PubChem CID62286657
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine
SMILESCCCCN(CC)c1cnc(C(C)C)nc1CNCC
InChIInChI=1S/C16H30N4/c1-6-9-10-20(8-3)15-12-18-16(13(4)5)19-14(15)11-17-7-2/h12-13,17H,6-11H2,1-5H3
InChIKeyDMEZWBYEFQIHAP-UHFFFAOYSA-N
XLogP3.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine
CID 62279544
N-ethyl-2-propan-2-yl-N-propyl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62278849
N-ethyl-4-(methylaminomethyl)-2-propan-2-yl-N-propylpyrimidin-5-amine
CID 62278678
2-[butyl-[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]amino]ethanol
CID 62088140
4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine
CID 62300682
N-butyl-N-methyl-2-propan-2-yl-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62286155
4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
CID 62299633
4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine
CID 63865959
N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-4-(propylaminomethyl)pyrimidin-5-amine
CID 62288127
5-[3-(dimethylamino)propyl-ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 102993982
N-methyl-N,2-di(propan-2-yl)-4-[(propan-2-ylamino)methyl]pyrimidin-5-amine
CID 62278744
4-(chloromethyl)-N-methyl-N-pentyl-2-propan-2-ylpyrimidin-5-amine
CID 62086546

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine (CID 62286657) is N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine is CCCCN(CC)c1cnc(C(C)C)nc1CNCC.
What is the InChIKey of N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is DMEZWBYEFQIHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-9-10-20(8-3)15-12-18-16(13(4)5)19-14(15)11-17-7-2/h12-13,17H,6-11H2,1-5H3.
What are the key properties of N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine?
N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 278.44 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-(ethylaminomethyl)-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 62286657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).