1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C14H24ClN5O — CID 80832257

IUPAC1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCCCNc1ncc(Cl)c(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C14H24ClN5O/c1-4-5-16-14-17-7-12(15)13(18-14)20-9-11(21)6-10(20)8-19(2)3/h7,10-11,21H,4-6,8-9H2,1-3H3,(H,16,17,18)
InChIKeyBEFUXUCHQFSYKB-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.45
Rot. Bonds6

About 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 80832257) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID80832257
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCCCNc1ncc(Cl)c(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C14H24ClN5O/c1-4-5-16-14-17-7-12(15)13(18-14)20-9-11(21)6-10(20)8-19(2)3/h7,10-11,21H,4-6,8-9H2,1-3H3,(H,16,17,18)
InChIKeyBEFUXUCHQFSYKB-UHFFFAOYSA-N
XLogP1.45
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856110
5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80855641
5-[(dimethylamino)methyl]-1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidin-3-ol
CID 80855954
5-[(dimethylamino)methyl]-1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80832344
5-[(dimethylamino)methyl]-1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856272
5-chloro-4-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797010
5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 104692996
5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 103542000
5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856273
1-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056048
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 80832257) is 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CCCNc1ncc(Cl)c(N2CC(O)CC2CN(C)C)n1.
What is the InChIKey of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is BEFUXUCHQFSYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-4-5-16-14-17-7-12(15)13(18-14)20-9-11(21)6-10(20)8-19(2)3/h7,10-11,21H,4-6,8-9H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 313.83 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 80832257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).