N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine

C15H20N6O — CID 171701964

IUPACN,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cnc(OC2CCN(c3nccc(N(C)C)n3)C2)nc1
InChIInChI=1S/C15H20N6O/c1-11-8-17-15(18-9-11)22-12-5-7-21(10-12)14-16-6-4-13(19-14)20(2)3/h4,6,8-9,12H,5,7,10H2,1-3H3
InChIKeyCSLPRAVEJVKFAQ-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.30
Rot. Bonds4

About N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine

N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 171701964) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID171701964
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cnc(OC2CCN(c3nccc(N(C)C)n3)C2)nc1
InChIInChI=1S/C15H20N6O/c1-11-8-17-15(18-9-11)22-12-5-7-21(10-12)14-16-6-4-13(19-14)20(2)3/h4,6,8-9,12H,5,7,10H2,1-3H3
InChIKeyCSLPRAVEJVKFAQ-UHFFFAOYSA-N
XLogP1.30
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine (CID 171701964) is N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine is Cc1cnc(OC2CCN(c3nccc(N(C)C)n3)C2)nc1.
What is the InChIKey of N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is CSLPRAVEJVKFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-8-17-15(18-9-11)22-12-5-7-21(10-12)14-16-6-4-13(19-14)20(2)3/h4,6,8-9,12H,5,7,10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 300.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 171701964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).