4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide

C15H23N5O2 — CID 130441517

IUPAC4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
SMILESC=C(CC)Nc1nc(N[C@@H]2CCC[C@@H](O)C2)ncc1C(N)=O
InChIInChI=1S/C15H23N5O2/c1-3-9(2)18-14-12(13(16)22)8-17-15(20-14)19-10-5-4-6-11(21)7-10/h8,10-11,21H,2-7H2,1H3,(H2,16,22)(H2,17,18,19,20)/t10-,11-/m1/s1
InChIKeyZXUCCFWQSRVSQU-GHMZBOCLSA-N
MW305.38 g/mol
LogP1.63
Rot. Bonds6

About 4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide

4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide (PubChem CID 130441517) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
PubChem CID130441517
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
SMILESC=C(CC)Nc1nc(N[C@@H]2CCC[C@@H](O)C2)ncc1C(N)=O
InChIInChI=1S/C15H23N5O2/c1-3-9(2)18-14-12(13(16)22)8-17-15(20-14)19-10-5-4-6-11(21)7-10/h8,10-11,21H,2-7H2,1H3,(H2,16,22)(H2,17,18,19,20)/t10-,11-/m1/s1
InChIKeyZXUCCFWQSRVSQU-GHMZBOCLSA-N
XLogP1.63
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide (CID 130441517) is 4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide is C=C(CC)Nc1nc(N[C@@H]2CCC[C@@H](O)C2)ncc1C(N)=O.
What is the InChIKey of 4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
The InChIKey is ZXUCCFWQSRVSQU-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-9(2)18-14-12(13(16)22)8-17-15(20-14)19-10-5-4-6-11(21)7-10/h8,10-11,21H,2-7H2,1H3,(H2,16,22)(H2,17,18,19,20)/t10-,11-/m1/s1.
What are the key properties of 4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide?
4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-1-en-2-ylamino)-2-[[(1R,3R)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 130441517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).