N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine

C15H26N4O — CID 99952124

IUPACN,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine
SMILESCC(C)C[C@@H]1COCCN1Cc1cnc(N(C)C)nc1
InChIInChI=1S/C15H26N4O/c1-12(2)7-14-11-20-6-5-19(14)10-13-8-16-15(17-9-13)18(3)4/h8-9,12,14H,5-7,10-11H2,1-4H3/t14-/m1/s1
InChIKeyPUEGRIDOPKHTJA-CQSZACIVSA-N
MW278.40 g/mol
LogP1.79
Rot. Bonds5

About N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine

N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine (PubChem CID 99952124) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine
PubChem CID99952124
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine
SMILESCC(C)C[C@@H]1COCCN1Cc1cnc(N(C)C)nc1
InChIInChI=1S/C15H26N4O/c1-12(2)7-14-11-20-6-5-19(14)10-13-8-16-15(17-9-13)18(3)4/h8-9,12,14H,5-7,10-11H2,1-4H3/t14-/m1/s1
InChIKeyPUEGRIDOPKHTJA-CQSZACIVSA-N
XLogP1.79
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine (CID 99952124) is N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine is CC(C)C[C@@H]1COCCN1Cc1cnc(N(C)C)nc1.
What is the InChIKey of N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine?
The InChIKey is PUEGRIDOPKHTJA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)7-14-11-20-6-5-19(14)10-13-8-16-15(17-9-13)18(3)4/h8-9,12,14H,5-7,10-11H2,1-4H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine?
N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(3R)-3-(2-methylpropyl)morpholin-4-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99952124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).