4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine

C17H29N5 — CID 95718410

IUPAC4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCC(C)CN1CCC([C@H]2CCN(c3ccnc(N)n3)C2)CC1
InChIInChI=1S/C17H29N5/c1-13(2)11-21-8-4-14(5-9-21)15-6-10-22(12-15)16-3-7-19-17(18)20-16/h3,7,13-15H,4-6,8-12H2,1-2H3,(H2,18,19,20)/t15-/m0/s1
InChIKeyQDZBWYWAFOQHHT-HNNXBMFYSA-N
MW303.45 g/mol
LogP2.25
Rot. Bonds4

About 4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine

4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 95718410) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID95718410
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCC(C)CN1CCC([C@H]2CCN(c3ccnc(N)n3)C2)CC1
InChIInChI=1S/C17H29N5/c1-13(2)11-21-8-4-14(5-9-21)15-6-10-22(12-15)16-3-7-19-17(18)20-16/h3,7,13-15H,4-6,8-12H2,1-2H3,(H2,18,19,20)/t15-/m0/s1
InChIKeyQDZBWYWAFOQHHT-HNNXBMFYSA-N
XLogP2.25
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine (CID 95718410) is 4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine is CC(C)CN1CCC([C@H]2CCN(c3ccnc(N)n3)C2)CC1.
What is the InChIKey of 4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is QDZBWYWAFOQHHT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29N5/c1-13(2)11-21-8-4-14(5-9-21)15-6-10-22(12-15)16-3-7-19-17(18)20-16/h3,7,13-15H,4-6,8-12H2,1-2H3,(H2,18,19,20)/t15-/m0/s1.
What are the key properties of 4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine?
4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 303.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 95718410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).