3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C19H25N5O — CID 91773337

IUPAC3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCc2nc(C)c3c(n2)CCCC3)cc(C2CC(O)C2)n1
InChIInChI=1S/C19H25N5O/c1-11-15-5-3-4-6-16(15)24-19(21-11)10-20-18-9-17(22-12(2)23-18)13-7-14(25)8-13/h9,13-14,25H,3-8,10H2,1-2H3,(H,20,22,23)
InChIKeyMBHGYAVRSCAHTG-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.61
Rot. Bonds4

About 3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91773337) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91773337
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCc2nc(C)c3c(n2)CCCC3)cc(C2CC(O)C2)n1
InChIInChI=1S/C19H25N5O/c1-11-15-5-3-4-6-16(15)24-19(21-11)10-20-18-9-17(22-12(2)23-18)13-7-14(25)8-13/h9,13-14,25H,3-8,10H2,1-2H3,(H,20,22,23)
InChIKeyMBHGYAVRSCAHTG-UHFFFAOYSA-N
XLogP2.61
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91773337) is 3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(NCc2nc(C)c3c(n2)CCCC3)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is MBHGYAVRSCAHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-11-15-5-3-4-6-16(15)24-19(21-11)10-20-18-9-17(22-12(2)23-18)13-7-14(25)8-13/h9,13-14,25H,3-8,10H2,1-2H3,(H,20,22,23).
What are the key properties of 3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 339.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91773337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).