N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine

C17H22N4O2 — CID 97486517

IUPACN-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
SMILESc1cc(NCC2CC2)nc([C@@H]2COCCN2Cc2ccoc2)n1
InChIInChI=1S/C17H22N4O2/c1-2-13(1)9-19-16-3-5-18-17(20-16)15-12-23-8-6-21(15)10-14-4-7-22-11-14/h3-5,7,11,13,15H,1-2,6,8-10,12H2,(H,18,19,20)/t15-/m0/s1
InChIKeyZMWVGKBRPVDXNO-HNNXBMFYSA-N
MW314.39 g/mol
LogP2.46
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine

N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine (PubChem CID 97486517) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
PubChem CID97486517
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
SMILESc1cc(NCC2CC2)nc([C@@H]2COCCN2Cc2ccoc2)n1
InChIInChI=1S/C17H22N4O2/c1-2-13(1)9-19-16-3-5-18-17(20-16)15-12-23-8-6-21(15)10-14-4-7-22-11-14/h3-5,7,11,13,15H,1-2,6,8-10,12H2,(H,18,19,20)/t15-/m0/s1
InChIKeyZMWVGKBRPVDXNO-HNNXBMFYSA-N
XLogP2.46
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine 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 N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine (CID 97486517) is N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine is c1cc(NCC2CC2)nc([C@@H]2COCCN2Cc2ccoc2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is ZMWVGKBRPVDXNO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-13(1)9-19-16-3-5-18-17(20-16)15-12-23-8-6-21(15)10-14-4-7-22-11-14/h3-5,7,11,13,15H,1-2,6,8-10,12H2,(H,18,19,20)/t15-/m0/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 314.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 97486517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).