N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine

C19H27N5O2S — CID 129474501

IUPACN-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine
SMILESCC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@@H](c3nccs3)C2)ncn1
InChIInChI=1S/C19H27N5O2S/c1-13(2)18-14(4-3-7-26-18)23-16-10-17(22-12-21-16)24-6-8-25-15(11-24)19-20-5-9-27-19/h5,9-10,12-15,18H,3-4,6-8,11H2,1-2H3,(H,21,22,23)/t14-,15-,18+/m1/s1
InChIKeyDVVLTFCWIPDEFL-RKVPGOIHSA-N
MW389.53 g/mol
LogP3.13
Rot. Bonds5

About N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine

N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine (PubChem CID 129474501) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine
PubChem CID129474501
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine
SMILESCC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@@H](c3nccs3)C2)ncn1
InChIInChI=1S/C19H27N5O2S/c1-13(2)18-14(4-3-7-26-18)23-16-10-17(22-12-21-16)24-6-8-25-15(11-24)19-20-5-9-27-19/h5,9-10,12-15,18H,3-4,6-8,11H2,1-2H3,(H,21,22,23)/t14-,15-,18+/m1/s1
InChIKeyDVVLTFCWIPDEFL-RKVPGOIHSA-N
XLogP3.13
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine (CID 129474501) is N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine is CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCO[C@@H](c3nccs3)C2)ncn1.
What is the InChIKey of N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine?
The InChIKey is DVVLTFCWIPDEFL-RKVPGOIHSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-13(2)18-14(4-3-7-26-18)23-16-10-17(22-12-21-16)24-6-8-25-15(11-24)19-20-5-9-27-19/h5,9-10,12-15,18H,3-4,6-8,11H2,1-2H3,(H,21,22,23)/t14-,15-,18+/m1/s1.
What are the key properties of N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine?
N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine has a molecular weight of 389.53 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 129474501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).