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

C16H29N5 — CID 80774074

IUPAC4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2CCN(C)C2)c1CCC
InChIInChI=1S/C16H29N5/c1-4-6-14-15(17-8-5-2)19-12-20-16(14)18-10-13-7-9-21(3)11-13/h12-13H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyZCYWZELPSYXFDM-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.61
Rot. Bonds8

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

4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine (PubChem CID 80774074) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
PubChem CID80774074
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCC2CCN(C)C2)c1CCC
InChIInChI=1S/C16H29N5/c1-4-6-14-15(17-8-5-2)19-12-20-16(14)18-10-13-7-9-21(3)11-13/h12-13H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyZCYWZELPSYXFDM-UHFFFAOYSA-N
XLogP2.61
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
4-N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80791601
[1-[5-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756838
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80812575
4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771825
5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114071957
2-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80791122
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80819515
6-N-ethyl-5-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80987106
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80800343
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazin-2-amine
CID 83065208

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine (CID 80774074) is 4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine is CCCNc1ncnc(NCC2CCN(C)C2)c1CCC.
What is the InChIKey of 4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
The InChIKey is ZCYWZELPSYXFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-4-6-14-15(17-8-5-2)19-12-20-16(14)18-10-13-7-9-21(3)11-13/h12-13H,4-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine?
4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylpyrrolidin-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 80774074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).