4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine

C18H26N8 — CID 56702372

IUPAC4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCNc1ncccc1CN1CCN(c2cc(NC3CC3)nc(N)n2)CC1
InChIInChI=1S/C18H26N8/c1-20-17-13(3-2-6-21-17)12-25-7-9-26(10-8-25)16-11-15(22-14-4-5-14)23-18(19)24-16/h2-3,6,11,14H,4-5,7-10,12H2,1H3,(H,20,21)(H3,19,22,23,24)
InChIKeySFQAJTYBAVOVIW-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.39
Rot. Bonds6

About 4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine

4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 56702372) has the molecular formula C18H26N8 and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID56702372
Molecular FormulaC18H26N8
Molecular Weight354.46 g/mol
Exact Mass354.23
IUPAC Name4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCNc1ncccc1CN1CCN(c2cc(NC3CC3)nc(N)n2)CC1
InChIInChI=1S/C18H26N8/c1-20-17-13(3-2-6-21-17)12-25-7-9-26(10-8-25)16-11-15(22-14-4-5-14)23-18(19)24-16/h2-3,6,11,14H,4-5,7-10,12H2,1H3,(H,20,21)(H3,19,22,23,24)
InChIKeySFQAJTYBAVOVIW-UHFFFAOYSA-N
XLogP1.39
TPSA95.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine (CID 56702372) is 4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine is CNc1ncccc1CN1CCN(c2cc(NC3CC3)nc(N)n2)CC1.
What is the InChIKey of 4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is SFQAJTYBAVOVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8/c1-20-17-13(3-2-6-21-17)12-25-7-9-26(10-8-25)16-11-15(22-14-4-5-14)23-18(19)24-16/h2-3,6,11,14H,4-5,7-10,12H2,1H3,(H,20,21)(H3,19,22,23,24).
What are the key properties of 4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 354.46 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-[4-[[2-(methylamino)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 56702372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).