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

C23H23N7OS — CID 90336447

IUPAC2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc(-c3cccnc3)cn2)n1
InChIInChI=1S/C23H23N7OS/c1-14-27-21(26-12-23-30-29-15(2)32-23)9-22(28-14)31-13-18-8-19(18)20-6-5-17(11-25-20)16-4-3-7-24-10-16/h3-7,9-11,18-19H,8,12-13H2,1-2H3,(H,26,27,28)/t18-,19+/m1/s1
InChIKeyPIRMCOIXKTYSAA-MOPGFXCFSA-N
MW445.55 g/mol
LogP4.20
Rot. Bonds8

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

2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine (PubChem CID 90336447) has the molecular formula C23H23N7OS and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID90336447
Molecular FormulaC23H23N7OS
Molecular Weight445.55 g/mol
Exact Mass445.17
IUPAC Name2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc(-c3cccnc3)cn2)n1
InChIInChI=1S/C23H23N7OS/c1-14-27-21(26-12-23-30-29-15(2)32-23)9-22(28-14)31-13-18-8-19(18)20-6-5-17(11-25-20)16-4-3-7-24-10-16/h3-7,9-11,18-19H,8,12-13H2,1-2H3,(H,26,27,28)/t18-,19+/m1/s1
InChIKeyPIRMCOIXKTYSAA-MOPGFXCFSA-N
XLogP4.20
TPSA98.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.20
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-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine (CID 90336447) is 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine is Cc1nc(NCc2nnc(C)s2)cc(OC[C@H]2C[C@@H]2c2ccc(-c3cccnc3)cn2)n1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine?
The InChIKey is PIRMCOIXKTYSAA-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H23N7OS/c1-14-27-21(26-12-23-30-29-15(2)32-23)9-22(28-14)31-13-18-8-19(18)20-6-5-17(11-25-20)16-4-3-7-24-10-16/h3-7,9-11,18-19H,8,12-13H2,1-2H3,(H,26,27,28)/t18-,19+/m1/s1.
What are the key properties of 2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine?
2-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-6-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine has a molecular weight of 445.55 g/mol, XLogP of 4.20, 8 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-[[(1S,2S)-2-(5-pyridin-3-yl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 90336447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).