2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine

C24H25N7OS — CID 144538381

IUPAC2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine
SMILESCc1nc(NCc2nnc(C)s2)cc(OCC[C@H]2C[C@@H]2c2ccc(-c3ccccn3)cn2)n1
InChIInChI=1S/C24H25N7OS/c1-15-28-22(27-14-24-31-30-16(2)33-24)12-23(29-15)32-10-8-17-11-19(17)21-7-6-18(13-26-21)20-5-3-4-9-25-20/h3-7,9,12-13,17,19H,8,10-11,14H2,1-2H3,(H,27,28,29)/t17-,19-/m0/s1
InChIKeyMCOIWFBYDVDXTH-HKUYNNGSSA-N
MW459.58 g/mol
LogP4.59
Rot. Bonds9

About 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine

2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine (PubChem CID 144538381) has the molecular formula C24H25N7OS and a molecular weight of 459.58 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine
PubChem CID144538381
Molecular FormulaC24H25N7OS
Molecular Weight459.58 g/mol
Exact Mass459.18
IUPAC Name2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine
SMILESCc1nc(NCc2nnc(C)s2)cc(OCC[C@H]2C[C@@H]2c2ccc(-c3ccccn3)cn2)n1
InChIInChI=1S/C24H25N7OS/c1-15-28-22(27-14-24-31-30-16(2)33-24)12-23(29-15)32-10-8-17-11-19(17)21-7-6-18(13-26-21)20-5-3-4-9-25-20/h3-7,9,12-13,17,19H,8,10-11,14H2,1-2H3,(H,27,28,29)/t17-,19-/m0/s1
InChIKeyMCOIWFBYDVDXTH-HKUYNNGSSA-N
XLogP4.59
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine (CID 144538381) is 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine is Cc1nc(NCc2nnc(C)s2)cc(OCC[C@H]2C[C@@H]2c2ccc(-c3ccccn3)cn2)n1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine?
The InChIKey is MCOIWFBYDVDXTH-HKUYNNGSSA-N. The full InChI is InChI=1S/C24H25N7OS/c1-15-28-22(27-14-24-31-30-16(2)33-24)12-23(29-15)32-10-8-17-11-19(17)21-7-6-18(13-26-21)20-5-3-4-9-25-20/h3-7,9,12-13,17,19H,8,10-11,14H2,1-2H3,(H,27,28,29)/t17-,19-/m0/s1.
What are the key properties of 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine?
2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine has a molecular weight of 459.58 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-[(1R,2S)-2-(5-pyridin-2-yl-2-pyridinyl)cyclopropyl]ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 144538381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).