2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine

C14H23N5 — CID 80962152

IUPAC2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCN1CCCCC1CNc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C14H23N5/c1-19-7-3-2-4-11(19)9-16-13-8-12(15)17-14(18-13)10-5-6-10/h8,10-11H,2-7,9H2,1H3,(H3,15,16,17,18)
InChIKeyNVCLXJSEBHYVAY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.83
Rot. Bonds4

About 2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine

2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80962152) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80962152
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
SMILESCN1CCCCC1CNc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C14H23N5/c1-19-7-3-2-4-11(19)9-16-13-8-12(15)17-14(18-13)10-5-6-10/h8,10-11H,2-7,9H2,1H3,(H3,15,16,17,18)
InChIKeyNVCLXJSEBHYVAY-UHFFFAOYSA-N
XLogP1.83
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethoxymethyl)-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 106029091
6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106022889
4-N-[(1-methylpyrrolidin-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 106029078
6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80947634
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazine-2,5-diamine
CID 106028605
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
[2-[[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80959887
2-ethyl-6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026109
2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564704
2-cyclopropyl-4-N-piperidin-1-ylpyrimidine-4,6-diamine
CID 83026950
3,5-dichloro-6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 102761888
6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 63586179

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine (CID 80962152) is 2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine is CN1CCCCC1CNc1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is NVCLXJSEBHYVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-19-7-3-2-4-11(19)9-16-13-8-12(15)17-14(18-13)10-5-6-10/h8,10-11H,2-7,9H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80962152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).