N-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

C21H26N4O — CID 58702306

IUPACN-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)Nc1nccc(N(CC2CC2)C(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C21H26N4O/c1-14(2)23-21-22-11-10-19(24-21)25(13-15-6-7-15)20(26)18-9-8-16-4-3-5-17(16)12-18/h8-12,14-15H,3-7,13H2,1-2H3,(H,22,23,24)
InChIKeyAXJYPEJWYVFQRH-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.84
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

N-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 58702306) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID58702306
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)Nc1nccc(N(CC2CC2)C(=O)c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C21H26N4O/c1-14(2)23-21-22-11-10-19(24-21)25(13-15-6-7-15)20(26)18-9-8-16-4-3-5-17(16)12-18/h8-12,14-15H,3-7,13H2,1-2H3,(H,22,23,24)
InChIKeyAXJYPEJWYVFQRH-UHFFFAOYSA-N
XLogP3.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 58702306) is N-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is CC(C)Nc1nccc(N(CC2CC2)C(=O)c2ccc3c(c2)CCC3)n1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is AXJYPEJWYVFQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14(2)23-21-22-11-10-19(24-21)25(13-15-6-7-15)20(26)18-9-8-16-4-3-5-17(16)12-18/h8-12,14-15H,3-7,13H2,1-2H3,(H,22,23,24).
What are the key properties of N-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
N-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 58702306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).