N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine

C16H23N3O — CID 99821958

IUPACN,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(N(C[C@@H]2CCOC2)C2CC2)nc(C2CC2)n1
InChIInChI=1S/C16H23N3O/c1-11-8-15(18-16(17-11)13-2-3-13)19(14-4-5-14)9-12-6-7-20-10-12/h8,12-14H,2-7,9-10H2,1H3/t12-/m0/s1
InChIKeyNPGVLUHHQFZAIM-LBPRGKRZSA-N
MW273.38 g/mol
LogP2.67
Rot. Bonds5

About N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine

N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine (PubChem CID 99821958) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine
PubChem CID99821958
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(N(C[C@@H]2CCOC2)C2CC2)nc(C2CC2)n1
InChIInChI=1S/C16H23N3O/c1-11-8-15(18-16(17-11)13-2-3-13)19(14-4-5-14)9-12-6-7-20-10-12/h8,12-14H,2-7,9-10H2,1H3/t12-/m0/s1
InChIKeyNPGVLUHHQFZAIM-LBPRGKRZSA-N
XLogP2.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine (CID 99821958) is N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine is Cc1cc(N(C[C@@H]2CCOC2)C2CC2)nc(C2CC2)n1.
What is the InChIKey of N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is NPGVLUHHQFZAIM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-8-15(18-16(17-11)13-2-3-13)19(14-4-5-14)9-12-6-7-20-10-12/h8,12-14H,2-7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine?
N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclopropyl-6-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 99821958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).