4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide

C21H30N4O2 — CID 140541492

IUPAC4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide
SMILESCC(C)N(c1ncc(C(N)=O)c(C2CC2)n1)C1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C21H30N4O2/c1-11(2)25(18-14-5-12-6-15(18)9-21(27,7-12)8-14)20-23-10-16(19(22)26)17(24-20)13-3-4-13/h10-15,18,27H,3-9H2,1-2H3,(H2,22,26)
InChIKeyXWKLMOHKTCUBML-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.61
Rot. Bonds5

About 4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide

4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide (PubChem CID 140541492) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide
PubChem CID140541492
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide
SMILESCC(C)N(c1ncc(C(N)=O)c(C2CC2)n1)C1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C21H30N4O2/c1-11(2)25(18-14-5-12-6-15(18)9-21(27,7-12)8-14)20-23-10-16(19(22)26)17(24-20)13-3-4-13/h10-15,18,27H,3-9H2,1-2H3,(H2,22,26)
InChIKeyXWKLMOHKTCUBML-UHFFFAOYSA-N
XLogP2.61
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide?
The IUPAC name of 4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide (CID 140541492) is 4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide is CC(C)N(c1ncc(C(N)=O)c(C2CC2)n1)C1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide?
The InChIKey is XWKLMOHKTCUBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-11(2)25(18-14-5-12-6-15(18)9-21(27,7-12)8-14)20-23-10-16(19(22)26)17(24-20)13-3-4-13/h10-15,18,27H,3-9H2,1-2H3,(H2,22,26).
What are the key properties of 4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide?
4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 140541492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).