5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol

C14H25N5O — CID 80856273

IUPAC5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1cc(N2CC(O)CC2CN(C)C)ncn1
InChIInChI=1S/C14H25N5O/c1-4-5-15-13-7-14(17-10-16-13)19-9-12(20)6-11(19)8-18(2)3/h7,10-12,20H,4-6,8-9H2,1-3H3,(H,15,16,17)
InChIKeyLSULXCURKYXQRV-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.80
Rot. Bonds6

About 5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 80856273) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID80856273
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCCNc1cc(N2CC(O)CC2CN(C)C)ncn1
InChIInChI=1S/C14H25N5O/c1-4-5-15-13-7-14(17-10-16-13)19-9-12(20)6-11(19)8-18(2)3/h7,10-12,20H,4-6,8-9H2,1-3H3,(H,15,16,17)
InChIKeyLSULXCURKYXQRV-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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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol (CID 80856273) is 5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is CCCNc1cc(N2CC(O)CC2CN(C)C)ncn1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is LSULXCURKYXQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-5-15-13-7-14(17-10-16-13)19-9-12(20)6-11(19)8-18(2)3/h7,10-12,20H,4-6,8-9H2,1-3H3,(H,15,16,17).
What are the key properties of 5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[6-(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-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 80856273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).