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

C12H20ClN5O — CID 80856110

IUPAC1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCNc1ncc(Cl)c(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C12H20ClN5O/c1-14-12-15-5-10(13)11(16-12)18-7-9(19)4-8(18)6-17(2)3/h5,8-9,19H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeyYTHNTSJSOGRXRO-UHFFFAOYSA-N
MW285.78 g/mol
LogP0.67
Rot. Bonds4

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

1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 80856110) has the molecular formula C12H20ClN5O and a molecular weight of 285.78 g/mol. Its IUPAC name is 1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID80856110
Molecular FormulaC12H20ClN5O
Molecular Weight285.78 g/mol
Exact Mass285.14
IUPAC Name1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCNc1ncc(Cl)c(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C12H20ClN5O/c1-14-12-15-5-10(13)11(16-12)18-7-9(19)4-8(18)6-17(2)3/h5,8-9,19H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeyYTHNTSJSOGRXRO-UHFFFAOYSA-N
XLogP0.67
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80832257
5-[(dimethylamino)methyl]-1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856272
5-[(dimethylamino)methyl]-1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidin-3-ol
CID 80855954
1-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056048
5-[(dimethylamino)methyl]-1-[6-(methylamino)-5-nitropyrimidin-4-yl]pyrrolidin-3-ol
CID 80831961
5-chloro-4-[3-(dimethylamino)piperidin-1-yl]-N-methylpyrimidin-2-amine
CID 80856626
[5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052597
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856576
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114684020
5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 80787331
5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80855641
5-[(dimethylamino)methyl]-1-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80924894

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 80856110) is 1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CNc1ncc(Cl)c(N2CC(O)CC2CN(C)C)n1.
What is the InChIKey of 1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is YTHNTSJSOGRXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O/c1-14-12-15-5-10(13)11(16-12)18-7-9(19)4-8(18)6-17(2)3/h5,8-9,19H,4,6-7H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 285.78 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 80856110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).