4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol

C10H17N3O — CID 103696577

IUPAC4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol
SMILESCC(C)C(CCO)Nc1ncccn1
InChIInChI=1S/C10H17N3O/c1-8(2)9(4-7-14)13-10-11-5-3-6-12-10/h3,5-6,8-9,14H,4,7H2,1-2H3,(H,11,12,13)
InChIKeyPNJBXWGOBYHDFI-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.30
Rot. Bonds5

About 4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol

4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol (PubChem CID 103696577) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol
PubChem CID103696577
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol
SMILESCC(C)C(CCO)Nc1ncccn1
InChIInChI=1S/C10H17N3O/c1-8(2)9(4-7-14)13-10-11-5-3-6-12-10/h3,5-6,8-9,14H,4,7H2,1-2H3,(H,11,12,13)
InChIKeyPNJBXWGOBYHDFI-UHFFFAOYSA-N
XLogP1.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103858162
4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103703910
3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350440
3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 103757100
3-[(2-amino-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 106358019
2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol
CID 115644022
4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol
CID 113242419
4-methyl-3-(2-pyridin-2-ylethylamino)pentan-1-ol
CID 106349529
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methylpentan-1-ol
CID 106352572
3-[(6-amino-3-pyridinyl)amino]-4-methylpentan-1-ol
CID 106348304
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-1-methylpyrazin-2-one
CID 103703893
4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 103736616

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol (CID 103696577) is 4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol is CC(C)C(CCO)Nc1ncccn1.
What is the InChIKey of 4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol?
The InChIKey is PNJBXWGOBYHDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)9(4-7-14)13-10-11-5-3-6-12-10/h3,5-6,8-9,14H,4,7H2,1-2H3,(H,11,12,13).
What are the key properties of 4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol?
4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol is sourced from PubChem (CID 103696577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).