4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine

C18H26N8 — CID 56701948

IUPAC4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCc1ncc(CN2CCN(c3cc(NC4CC4)nc(N)n3)CC2)cn1
InChIInChI=1S/C18H26N8/c1-2-15-20-10-13(11-21-15)12-25-5-7-26(8-6-25)17-9-16(22-14-3-4-14)23-18(19)24-17/h9-11,14H,2-8,12H2,1H3,(H3,19,22,23,24)
InChIKeyWHHGNRXWVQLHAZ-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.31
Rot. Bonds6

About 4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine

4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 56701948) has the molecular formula C18H26N8 and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID56701948
Molecular FormulaC18H26N8
Molecular Weight354.46 g/mol
Exact Mass354.23
IUPAC Name4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine
SMILESCCc1ncc(CN2CCN(c3cc(NC4CC4)nc(N)n3)CC2)cn1
InChIInChI=1S/C18H26N8/c1-2-15-20-10-13(11-21-15)12-25-5-7-26(8-6-25)17-9-16(22-14-3-4-14)23-18(19)24-17/h9-11,14H,2-8,12H2,1H3,(H3,19,22,23,24)
InChIKeyWHHGNRXWVQLHAZ-UHFFFAOYSA-N
XLogP1.31
TPSA96.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine (CID 56701948) is 4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine is CCc1ncc(CN2CCN(c3cc(NC4CC4)nc(N)n3)CC2)cn1.
What is the InChIKey of 4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is WHHGNRXWVQLHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8/c1-2-15-20-10-13(11-21-15)12-25-5-7-26(8-6-25)17-9-16(22-14-3-4-14)23-18(19)24-17/h9-11,14H,2-8,12H2,1H3,(H3,19,22,23,24).
What are the key properties of 4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine?
4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 354.46 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-[4-[(2-ethylpyrimidin-5-yl)methyl]piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 56701948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).