2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one

C19H29N7O — CID 110095839

IUPAC2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCc1nc(CC2CCCN(C(=O)C(C)(C)N)C2)cc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C19H29N7O/c1-12-8-17(25-24-12)23-16-10-15(21-13(2)22-16)9-14-6-5-7-26(11-14)18(27)19(3,4)20/h8,10,14H,5-7,9,11,20H2,1-4H3,(H2,21,22,23,24,25)
InChIKeySZXKVNACSBWPCZ-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.08
Rot. Bonds5

About 2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one

2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one (PubChem CID 110095839) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
PubChem CID110095839
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
SMILESCc1nc(CC2CCCN(C(=O)C(C)(C)N)C2)cc(Nc2cc(C)[nH]n2)n1
InChIInChI=1S/C19H29N7O/c1-12-8-17(25-24-12)23-16-10-15(21-13(2)22-16)9-14-6-5-7-26(11-14)18(27)19(3,4)20/h8,10,14H,5-7,9,11,20H2,1-4H3,(H2,21,22,23,24,25)
InChIKeySZXKVNACSBWPCZ-UHFFFAOYSA-N
XLogP2.08
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one (CID 110095839) is 2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one is Cc1nc(CC2CCCN(C(=O)C(C)(C)N)C2)cc(Nc2cc(C)[nH]n2)n1.
What is the InChIKey of 2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one?
The InChIKey is SZXKVNACSBWPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-12-8-17(25-24-12)23-16-10-15(21-13(2)22-16)9-14-6-5-7-26(11-14)18(27)19(3,4)20/h8,10,14H,5-7,9,11,20H2,1-4H3,(H2,21,22,23,24,25).
What are the key properties of 2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one?
2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one has a molecular weight of 371.49 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[3-[[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110095839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).