1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol

C20H32N4O2 — CID 126449612

IUPAC1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol
SMILESCN(CCCC1CCCC1)c1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1
InChIInChI=1S/C20H32N4O2/c1-23(9-4-7-15-5-2-3-6-15)19-11-18(16-8-10-26-14-16)21-20(22-19)24-12-17(25)13-24/h11,15-17,25H,2-10,12-14H2,1H3/t16-/m0/s1
InChIKeyPAHXINBUWYUBFL-INIZCTEOSA-N
MW360.50 g/mol
LogP2.57
Rot. Bonds7

About 1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol

1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol (PubChem CID 126449612) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol
PubChem CID126449612
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol
SMILESCN(CCCC1CCCC1)c1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1
InChIInChI=1S/C20H32N4O2/c1-23(9-4-7-15-5-2-3-6-15)19-11-18(16-8-10-26-14-16)21-20(22-19)24-12-17(25)13-24/h11,15-17,25H,2-10,12-14H2,1H3/t16-/m0/s1
InChIKeyPAHXINBUWYUBFL-INIZCTEOSA-N
XLogP2.57
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol?
The IUPAC name of 1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol (CID 126449612) is 1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol.
What is the SMILES notation for 1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol?
The canonical SMILES for 1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol is CN(CCCC1CCCC1)c1cc([C@H]2CCOC2)nc(N2CC(O)C2)n1.
What is the InChIKey of 1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol?
The InChIKey is PAHXINBUWYUBFL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-23(9-4-7-15-5-2-3-6-15)19-11-18(16-8-10-26-14-16)21-20(22-19)24-12-17(25)13-24/h11,15-17,25H,2-10,12-14H2,1H3/t16-/m0/s1.
What are the key properties of 1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol?
1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol has a molecular weight of 360.50 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-cyclopentylpropyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol is sourced from PubChem (CID 126449612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).