N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide

C16H25N5O3 — CID 91667431

IUPACN-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
SMILESO=C(NC[C@H](O)CN1CCCCC1)c1cc(NC2COC2)ncn1
InChIInChI=1S/C16H25N5O3/c22-13(8-21-4-2-1-3-5-21)7-17-16(23)14-6-15(19-11-18-14)20-12-9-24-10-12/h6,11-13,22H,1-5,7-10H2,(H,17,23)(H,18,19,20)/t13-/m0/s1
InChIKeyGNQHGVLKYGGARA-ZDUSSCGKSA-N
MW335.41 g/mol
LogP-0.14
Rot. Bonds7

About N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide

N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide (PubChem CID 91667431) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
PubChem CID91667431
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
SMILESO=C(NC[C@H](O)CN1CCCCC1)c1cc(NC2COC2)ncn1
InChIInChI=1S/C16H25N5O3/c22-13(8-21-4-2-1-3-5-21)7-17-16(23)14-6-15(19-11-18-14)20-12-9-24-10-12/h6,11-13,22H,1-5,7-10H2,(H,17,23)(H,18,19,20)/t13-/m0/s1
InChIKeyGNQHGVLKYGGARA-ZDUSSCGKSA-N
XLogP-0.14
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide (CID 91667431) is N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide is O=C(NC[C@H](O)CN1CCCCC1)c1cc(NC2COC2)ncn1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide?
The InChIKey is GNQHGVLKYGGARA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N5O3/c22-13(8-21-4-2-1-3-5-21)7-17-16(23)14-6-15(19-11-18-14)20-12-9-24-10-12/h6,11-13,22H,1-5,7-10H2,(H,17,23)(H,18,19,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide?
N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 91667431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).