(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol

C15H24N4O — CID 164640409

IUPAC(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCc1cc(N2CC[C@@](O)(CN(C)C)C2)nc(C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-11-8-13(17-14(16-11)12-4-5-12)19-7-6-15(20,10-19)9-18(2)3/h8,12,20H,4-7,9-10H2,1-3H3/t15-/m1/s1
InChIKeyBNFUJUIILFMWQN-OAHLLOKOSA-N
MW276.38 g/mol
LogP1.17
Rot. Bonds4

About (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol

(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 164640409) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID164640409
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCc1cc(N2CC[C@@](O)(CN(C)C)C2)nc(C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-11-8-13(17-14(16-11)12-4-5-12)19-7-6-15(20,10-19)9-18(2)3/h8,12,20H,4-7,9-10H2,1-3H3/t15-/m1/s1
InChIKeyBNFUJUIILFMWQN-OAHLLOKOSA-N
XLogP1.17
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 164640409) is (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol is Cc1cc(N2CC[C@@](O)(CN(C)C)C2)nc(C2CC2)n1.
What is the InChIKey of (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is BNFUJUIILFMWQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-8-13(17-14(16-11)12-4-5-12)19-7-6-15(20,10-19)9-18(2)3/h8,12,20H,4-7,9-10H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol?
(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 276.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 164640409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).