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

C14H25N5O — CID 80855641

IUPAC5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1nccc(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C14H25N5O/c1-4-6-15-14-16-7-5-13(17-14)19-10-12(20)8-11(19)9-18(2)3/h5,7,11-12,20H,4,6,8-10H2,1-3H3,(H,15,16,17)
InChIKeyDRUAZBWCGKNYED-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.80
Rot. Bonds6

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

5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 80855641) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID80855641
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1nccc(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C14H25N5O/c1-4-6-15-14-16-7-5-13(17-14)19-10-12(20)8-11(19)9-18(2)3/h5,7,11-12,20H,4,6,8-10H2,1-3H3,(H,15,16,17)
InChIKeyDRUAZBWCGKNYED-UHFFFAOYSA-N
XLogP0.80
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(dimethylamino)methyl]-1-[6-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80832344
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80832257
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856576
5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856273
5-[(dimethylamino)methyl]-1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]pyrrolidin-3-ol
CID 80855954
5-[(dimethylamino)methyl]-1-[4-(propylaminomethyl)phenyl]pyrrolidin-3-ol
CID 66056828
1-(5-chloro-2-pyridinyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051832
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 66057235
5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol
CID 66052604
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 80805920
5-[(dimethylamino)methyl]-1-(1-ethylimidazol-2-yl)pyrrolidin-3-ol
CID 66053958
5-[(dimethylamino)methyl]-1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80937089

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (CID 80855641) is 5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is CCCNc1nccc(N2CC(O)CC2CN(C)C)n1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is DRUAZBWCGKNYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-6-15-14-16-7-5-13(17-14)19-10-12(20)8-11(19)9-18(2)3/h5,7,11-12,20H,4,6,8-10H2,1-3H3,(H,15,16,17).
What are the key properties of 5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 279.39 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 80855641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).