N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide

C13H20N4O2 — CID 95712658

IUPACN-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NC[C@@]1(O)CCNC1
InChIInChI=1S/C13H20N4O2/c1-2-3-11-10(6-15-9-17-11)12(18)16-8-13(19)4-5-14-7-13/h6,9,14,19H,2-5,7-8H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyKMDOXSZIDXNQEC-CYBMUJFWSA-N
MW264.33 g/mol
LogP-0.12
Rot. Bonds5

About N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide

N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide (PubChem CID 95712658) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
PubChem CID95712658
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NC[C@@]1(O)CCNC1
InChIInChI=1S/C13H20N4O2/c1-2-3-11-10(6-15-9-17-11)12(18)16-8-13(19)4-5-14-7-13/h6,9,14,19H,2-5,7-8H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyKMDOXSZIDXNQEC-CYBMUJFWSA-N
XLogP-0.12
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide (CID 95712658) is N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NC[C@@]1(O)CCNC1.
What is the InChIKey of N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is KMDOXSZIDXNQEC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-3-11-10(6-15-9-17-11)12(18)16-8-13(19)4-5-14-7-13/h6,9,14,19H,2-5,7-8H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide?
N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 264.33 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 95712658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).