N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine

C17H26N4O2 — CID 97486462

IUPACN-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCC2)nc([C@@H]2COCCN2C2CCOCC2)n1
InChIInChI=1S/C17H26N4O2/c1-2-13(3-1)19-16-4-7-18-17(20-16)15-12-23-11-8-21(15)14-5-9-22-10-6-14/h4,7,13-15H,1-3,5-6,8-12H2,(H,18,19,20)/t15-/m0/s1
InChIKeyJCKPVOVWGMJCKX-HNNXBMFYSA-N
MW318.42 g/mol
LogP1.99
Rot. Bonds4

About N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine

N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine (PubChem CID 97486462) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine
PubChem CID97486462
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCC2)nc([C@@H]2COCCN2C2CCOCC2)n1
InChIInChI=1S/C17H26N4O2/c1-2-13(3-1)19-16-4-7-18-17(20-16)15-12-23-11-8-21(15)14-5-9-22-10-6-14/h4,7,13-15H,1-3,5-6,8-12H2,(H,18,19,20)/t15-/m0/s1
InChIKeyJCKPVOVWGMJCKX-HNNXBMFYSA-N
XLogP1.99
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine (CID 97486462) is N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine is c1cc(NC2CCC2)nc([C@@H]2COCCN2C2CCOCC2)n1.
What is the InChIKey of N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is JCKPVOVWGMJCKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-13(3-1)19-16-4-7-18-17(20-16)15-12-23-11-8-21(15)14-5-9-22-10-6-14/h4,7,13-15H,1-3,5-6,8-12H2,(H,18,19,20)/t15-/m0/s1.
What are the key properties of N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine?
N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 318.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 97486462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).