2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide

C19H25N5O3 — CID 90650185

IUPAC2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccn2)nc(N)n1
InChIInChI=1S/C19H25N5O3/c1-12(2)14-9-15(24-19(20)23-14)18(25)22-16-11-26-8-6-17(16)27-10-13-5-3-4-7-21-13/h3-5,7,9,12,16-17H,6,8,10-11H2,1-2H3,(H,22,25)(H2,20,23,24)/t16-,17+/m1/s1
InChIKeyOSSBTSTWRYUNIA-SJORKVTESA-N
MW371.44 g/mol
LogP1.68
Rot. Bonds6

About 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide

2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide (PubChem CID 90650185) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide
PubChem CID90650185
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccn2)nc(N)n1
InChIInChI=1S/C19H25N5O3/c1-12(2)14-9-15(24-19(20)23-14)18(25)22-16-11-26-8-6-17(16)27-10-13-5-3-4-7-21-13/h3-5,7,9,12,16-17H,6,8,10-11H2,1-2H3,(H,22,25)(H2,20,23,24)/t16-,17+/m1/s1
InChIKeyOSSBTSTWRYUNIA-SJORKVTESA-N
XLogP1.68
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide (CID 90650185) is 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide is CC(C)c1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccn2)nc(N)n1.
What is the InChIKey of 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide?
The InChIKey is OSSBTSTWRYUNIA-SJORKVTESA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12(2)14-9-15(24-19(20)23-14)18(25)22-16-11-26-8-6-17(16)27-10-13-5-3-4-7-21-13/h3-5,7,9,12,16-17H,6,8,10-11H2,1-2H3,(H,22,25)(H2,20,23,24)/t16-,17+/m1/s1.
What are the key properties of 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide?
2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propan-2-yl-N-[(3R,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 90650185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).