4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

C19H26N6O — CID 67984037

IUPAC4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCNc1ncc(-c2ccnc(NC3CCC(O)CC3)n2)c(CC2CC2)n1
InChIInChI=1S/C19H26N6O/c1-20-18-22-11-15(17(25-18)10-12-2-3-12)16-8-9-21-19(24-16)23-13-4-6-14(26)7-5-13/h8-9,11-14,26H,2-7,10H2,1H3,(H,20,22,25)(H,21,23,24)
InChIKeyNRAHNTZNUUEGAH-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.64
Rot. Bonds6

About 4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 67984037) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID67984037
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCNc1ncc(-c2ccnc(NC3CCC(O)CC3)n2)c(CC2CC2)n1
InChIInChI=1S/C19H26N6O/c1-20-18-22-11-15(17(25-18)10-12-2-3-12)16-8-9-21-19(24-16)23-13-4-6-14(26)7-5-13/h8-9,11-14,26H,2-7,10H2,1H3,(H,20,22,25)(H,21,23,24)
InChIKeyNRAHNTZNUUEGAH-UHFFFAOYSA-N
XLogP2.64
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 67984037) is 4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is CNc1ncc(-c2ccnc(NC3CCC(O)CC3)n2)c(CC2CC2)n1.
What is the InChIKey of 4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is NRAHNTZNUUEGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-20-18-22-11-15(17(25-18)10-12-2-3-12)16-8-9-21-19(24-16)23-13-4-6-14(26)7-5-13/h8-9,11-14,26H,2-7,10H2,1H3,(H,20,22,25)(H,21,23,24).
What are the key properties of 4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 354.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(cyclopropylmethyl)-2-(methylamino)pyrimidin-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 67984037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).