1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea

C16H24N6O — CID 146558632

IUPAC1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea
SMILESCNC(=O)N[C@@H]1CC[C@@H](Nc2cc(C(C)C)nc3ccnn23)C1
InChIInChI=1S/C16H24N6O/c1-10(2)13-9-15(22-14(21-13)6-7-18-22)19-11-4-5-12(8-11)20-16(23)17-3/h6-7,9-12,19H,4-5,8H2,1-3H3,(H2,17,20,23)/t11-,12-/m1/s1
InChIKeyGXMWDMBAXOODGQ-VXGBXAGGSA-N
MW316.41 g/mol
LogP2.11
Rot. Bonds4

About 1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea

1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea (PubChem CID 146558632) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea
PubChem CID146558632
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea
SMILESCNC(=O)N[C@@H]1CC[C@@H](Nc2cc(C(C)C)nc3ccnn23)C1
InChIInChI=1S/C16H24N6O/c1-10(2)13-9-15(22-14(21-13)6-7-18-22)19-11-4-5-12(8-11)20-16(23)17-3/h6-7,9-12,19H,4-5,8H2,1-3H3,(H2,17,20,23)/t11-,12-/m1/s1
InChIKeyGXMWDMBAXOODGQ-VXGBXAGGSA-N
XLogP2.11
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea?
The IUPAC name of 1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea (CID 146558632) is 1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea.
What is the SMILES notation for 1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea?
The canonical SMILES for 1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea is CNC(=O)N[C@@H]1CC[C@@H](Nc2cc(C(C)C)nc3ccnn23)C1.
What is the InChIKey of 1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea?
The InChIKey is GXMWDMBAXOODGQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H24N6O/c1-10(2)13-9-15(22-14(21-13)6-7-18-22)19-11-4-5-12(8-11)20-16(23)17-3/h6-7,9-12,19H,4-5,8H2,1-3H3,(H2,17,20,23)/t11-,12-/m1/s1.
What are the key properties of 1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea?
1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea has a molecular weight of 316.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea is sourced from PubChem (CID 146558632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).