5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine

C12H21N5 — CID 80811968

IUPAC5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC1CCN(C)CC1
InChIInChI=1S/C12H21N5/c1-9-7-15-12(13)16-11(9)14-8-10-3-5-17(2)6-4-10/h7,10H,3-6,8H2,1-2H3,(H3,13,14,15,16)
InChIKeyQPNUGXTVRDDABM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.12
Rot. Bonds3

About 5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine

5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80811968) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80811968
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC1CCN(C)CC1
InChIInChI=1S/C12H21N5/c1-9-7-15-12(13)16-11(9)14-8-10-3-5-17(2)6-4-10/h7,10H,3-6,8H2,1-2H3,(H3,13,14,15,16)
InChIKeyQPNUGXTVRDDABM-UHFFFAOYSA-N
XLogP1.12
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(1,1-dioxothiolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80822562
2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80790393
5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
CID 80815292
4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 79176691
5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80815623
4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine
CID 80790461
3-N-[(1-methylpiperidin-4-yl)methyl]quinoxaline-2,3-diamine
CID 102984126
5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine
CID 83265906
6-chloro-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,3-diamine
CID 113316874
4-N-[(1-methylpyrrolidin-3-yl)methyl]quinazoline-2,4-diamine
CID 80789448
4-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82237182
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine (CID 80811968) is 5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine is Cc1cnc(N)nc1NCC1CCN(C)CC1.
What is the InChIKey of 5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QPNUGXTVRDDABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9-7-15-12(13)16-11(9)14-8-10-3-5-17(2)6-4-10/h7,10H,3-6,8H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine?
5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80811968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).