N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine

C14H20N6O — CID 125024623

IUPACN,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc([C@@H]2COCCN2Cc2ccn[nH]2)n1
InChIInChI=1S/C14H20N6O/c1-10-7-13(15-2)18-14(17-10)12-9-21-6-5-20(12)8-11-3-4-16-19-11/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,19)(H,15,17,18)/t12-/m0/s1
InChIKeyZGYYVHNDJBBRQU-LBPRGKRZSA-N
MW288.35 g/mol
LogP1.12
Rot. Bonds4

About N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine

N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine (PubChem CID 125024623) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
PubChem CID125024623
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc([C@@H]2COCCN2Cc2ccn[nH]2)n1
InChIInChI=1S/C14H20N6O/c1-10-7-13(15-2)18-14(17-10)12-9-21-6-5-20(12)8-11-3-4-16-19-11/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,19)(H,15,17,18)/t12-/m0/s1
InChIKeyZGYYVHNDJBBRQU-LBPRGKRZSA-N
XLogP1.12
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine (CID 125024623) is N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine is CNc1cc(C)nc([C@@H]2COCCN2Cc2ccn[nH]2)n1.
What is the InChIKey of N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is ZGYYVHNDJBBRQU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10-7-13(15-2)18-14(17-10)12-9-21-6-5-20(12)8-11-3-4-16-19-11/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,19)(H,15,17,18)/t12-/m0/s1.
What are the key properties of N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine?
N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 288.35 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(3R)-4-(1H-pyrazol-5-ylmethyl)morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125024623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).