N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C14H21N5O2 — CID 94124309

IUPACN-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC[C@@H]1CCOC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H21N5O2/c20-14(17-10-12-2-9-21-11-12)19-7-5-18(6-8-19)13-15-3-1-4-16-13/h1,3-4,12H,2,5-11H2,(H,17,20)/t12-/m0/s1
InChIKeyDZMXKQJOOSICLJ-LBPRGKRZSA-N
MW291.35 g/mol
LogP0.34
Rot. Bonds3

About N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 94124309) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID94124309
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC[C@@H]1CCOC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H21N5O2/c20-14(17-10-12-2-9-21-11-12)19-7-5-18(6-8-19)13-15-3-1-4-16-13/h1,3-4,12H,2,5-11H2,(H,17,20)/t12-/m0/s1
InChIKeyDZMXKQJOOSICLJ-LBPRGKRZSA-N
XLogP0.34
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953
N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 129368211
1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94124298
N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 95860515
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 42924620
4-(furan-2-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 53498467
4-methylsulfonyl-N-[[(3S)-oxolan-3-yl]methyl]piperazine-1-carboxamide
CID 94124307
4-benzoyl-N-(oxan-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 136578291
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
N-[[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 99812603
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 91767847
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 94124309) is N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(NC[C@@H]1CCOC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is DZMXKQJOOSICLJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N5O2/c20-14(17-10-12-2-9-21-11-12)19-7-5-18(6-8-19)13-15-3-1-4-16-13/h1,3-4,12H,2,5-11H2,(H,17,20)/t12-/m0/s1.
What are the key properties of N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 94124309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).