6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine

C16H29N5 — CID 80987106

IUPAC6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NCC2CCN(C)C2)n1
InChIInChI=1S/C16H29N5/c1-5-7-14-19-15(17-6-2)12(3)16(20-14)18-10-13-8-9-21(4)11-13/h13H,5-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyCNSCMTPEQQMFIQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.53
Rot. Bonds7

About 6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80987106) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80987106
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NCC2CCN(C)C2)n1
InChIInChI=1S/C16H29N5/c1-5-7-14-19-15(17-6-2)12(3)16(20-14)18-10-13-8-9-21(4)11-13/h13H,5-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyCNSCMTPEQQMFIQ-UHFFFAOYSA-N
XLogP2.53
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80970244
6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80955001
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80992927
N-(cyclohexylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995285
6-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80968303
4-[[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138586
6-N,2-diethyl-5-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80992667
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazin-2-amine
CID 83065208
4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80774074
6-chloro-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80977889
6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80933549

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80987106) is 6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)c(C)c(NCC2CCN(C)C2)n1.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is CNSCMTPEQQMFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-7-14-19-15(17-6-2)12(3)16(20-14)18-10-13-8-9-21(4)11-13/h13H,5-11H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80987106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).