3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C17H23N5O — CID 91782124

IUPAC3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nccn1CC1(CNc2cc(C3CC(O)C3)ncn2)CC1
InChIInChI=1S/C17H23N5O/c1-12-18-4-5-22(12)10-17(2-3-17)9-19-16-8-15(20-11-21-16)13-6-14(23)7-13/h4-5,8,11,13-14,23H,2-3,6-7,9-10H2,1H3,(H,19,20,21)
InChIKeyWPRYTCORHNSFQK-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.11
Rot. Bonds6

About 3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91782124) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91782124
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nccn1CC1(CNc2cc(C3CC(O)C3)ncn2)CC1
InChIInChI=1S/C17H23N5O/c1-12-18-4-5-22(12)10-17(2-3-17)9-19-16-8-15(20-11-21-16)13-6-14(23)7-13/h4-5,8,11,13-14,23H,2-3,6-7,9-10H2,1H3,(H,19,20,21)
InChIKeyWPRYTCORHNSFQK-UHFFFAOYSA-N
XLogP2.11
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91782124) is 3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nccn1CC1(CNc2cc(C3CC(O)C3)ncn2)CC1.
What is the InChIKey of 3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is WPRYTCORHNSFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-18-4-5-22(12)10-17(2-3-17)9-19-16-8-15(20-11-21-16)13-6-14(23)7-13/h4-5,8,11,13-14,23H,2-3,6-7,9-10H2,1H3,(H,19,20,21).
What are the key properties of 3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 313.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91782124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).