(1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde

C31H49N7O3S — CID 143946597

About (1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde

(1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde (PubChem CID 143946597) has the molecular formula C31H49N7O3S and a molecular weight of 599.85 g/mol. Its IUPAC name is (1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde.

Molecular Properties

• Compound Name: (1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde
• PubChem CID: 143946597
• Molecular Formula: C31H49N7O3S
• Molecular Weight: 599.85 g/mol
• Exact Mass: 599.36
• IUPAC Name: (1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde
• SMILES: C=O.C=O.CC.CCCc1nccc2sc(-c3c(C)nc(N[C@H](C)C4CC4)nc3NC3CC(CN(C)C)[C@@H](O)C3)nc12
• InChI: InChI=1S/C27H39N7OS.C2H6.2CH2O/c1-6-7-20-24-22(10-11-28-20)36-26(32-24)23-16(3)30-27(29-15(2)17-8-9-17)33-25(23)31-19-12-18(14-34(4)5)21(35)13-19;3*1-2/h10-11,15,17-19,21,35H,6-9,12-14H2,1-5H3,(H2,29,30,31,33);1-2H3;2*1H2/t15-,18?,19?,21+;;;/m1.../s1
• InChIKey: FNZHZUAAMSHPDW-DRUOXHPZSA-N
• XLogP: 5.39
• TPSA: 133.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	599.85
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde?

The IUPAC name of (1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde (CID 143946597) is (1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde.

What is the SMILES notation for (1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde?

The canonical SMILES for (1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde is C=O.C=O.CC.CCCc1nccc2sc(-c3c(C)nc(N[C@H](C)C4CC4)nc3NC3CC(CN(C)C)[C@@H](O)C3)nc12.

What is the InChIKey of (1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde?

The InChIKey is FNZHZUAAMSHPDW-DRUOXHPZSA-N. The full InChI is InChI=1S/C27H39N7OS.C2H6.2CH2O/c1-6-7-20-24-22(10-11-28-20)36-26(32-24)23-16(3)30-27(29-15(2)17-8-9-17)33-25(23)31-19-12-18(14-34(4)5)21(35)13-19;3*1-2/h10-11,15,17-19,21,35H,6-9,12-14H2,1-5H3,(H2,29,30,31,33);1-2H3;2*1H2/t15-,18?,19?,21+;;;/m1.../s1.

What are the key properties of (1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde?

(1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde has a molecular weight of 599.85 g/mol, XLogP of 5.39, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-4-[[2-[[(1R)-1-cyclopropylethyl]amino]-6-methyl-5-(4-propyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2-[(dimethylamino)methyl]cyclopentan-1-ol;ethane;formaldehyde is sourced from PubChem (CID 143946597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).